[Pw_forum] How to create Vacuum

Rajesh creativeidleminds at gmail.com
Mon Jul 24 04:40:25 CEST 2017


Dear Users
I am new to qe. I would like to study a 2D material, graphene, and want to
introduce vacuum in the direction perpendicular to nanosheet plane. Is esm
with bc1 boundary conditions is right? I tried with this option but energy
of the sheet is coming out to be positive which is not possible. Can anyone
guide me?


Thank you.
Rajesh
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